N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide

C19H17NO2S — CID 117089481

IUPACN-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C19H17NO2S/c21-16-8-6-14(7-9-16)12-13-20-19(22)18-11-10-17(23-18)15-4-2-1-3-5-15/h1-11,21H,12-13H2,(H,20,22)
InChIKeyMIBSICNDIHZVDL-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.09
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide (PubChem CID 117089481) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide
PubChem CID117089481
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C19H17NO2S/c21-16-8-6-14(7-9-16)12-13-20-19(22)18-11-10-17(23-18)15-4-2-1-3-5-15/h1-11,21H,12-13H2,(H,20,22)
InChIKeyMIBSICNDIHZVDL-UHFFFAOYSA-N
XLogP4.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide
CID 117087857
N-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide
CID 117088911
N-[2-(4-hydroxyphenyl)ethyl]-5-phenylfuran-2-carboxamide
CID 4108306
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24738150
N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11638903
N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11616767
5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 24661243
N-(2-morpholin-4-ylethyl)-5-phenylthiophene-2-carboxamide
CID 117082907
2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61017284
N,5-diphenylthiophene-2-carboxamide
CID 3746437
4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide
CID 59856937

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide (CID 117089481) is N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide is O=C(NCCc1ccc(O)cc1)c1ccc(-c2ccccc2)s1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide?
The InChIKey is MIBSICNDIHZVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c21-16-8-6-14(7-9-16)12-13-20-19(22)18-11-10-17(23-18)15-4-2-1-3-5-15/h1-11,21H,12-13H2,(H,20,22).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 117089481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).